Crystal structure of 1-(adamantan-1-yl)-3-(4-bromophenyl) thiourea, C17H21BrN2S

被引:1
作者
Al-Omary, Fatmah A. M. [1 ]
Al-Rasheed, Lamees S. [1 ]
Ghabbour, Hazem A. [1 ,2 ]
El-Emam, Ali A. [1 ]
机构
[1] King Saud Univ, Dept Pharmaceut Chem, Coll Pharm, POB 2457, Riaydh 11451, Saudi Arabia
[2] Mansoura Univ, Dept Med Chem, Fac Pharm, Mansoura 35516, Egypt
来源
ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES | 2016年 / 231卷 / 04期
关键词
AMANTADINE HYDROCHLORIDE; VIBRATIONAL ASSIGNMENTS; MOLECULAR DOCKING; NLO ANALYSIS; HOMO-LUMO; FT-RAMAN; POTENT; INHIBITOR; INFLUENZA; EFFICACY;
D O I
10.1515/ncrs-2016-0037
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
C17H21BrN2S, orthorhombic, Pbca (No. 61), a = 17.0675(7) angstrom, b = 8.3422(3) angstrom, c = 22.5970(8) angstrom, V = 3217.4(2) angstrom(3), Z = 8, R-gt(F) = 0.0329, wR(ref)(F-2) = 0.0724, T = 100 K.
引用
收藏
页码:1033 / 1035
页数:3
相关论文
共 24 条
[1]   Synthesis and SAR of adatanserin:: Novel adamantyl aryl- and heteroarylpiperazines with dual serotonin 5-HT1A and 5-HT2 activity as potential anxiolytic and antidepressant agents [J].
Abou-Gharbia, MA ;
Childers, WE ;
Fletcher, H ;
McGaughey, G ;
Patel, U ;
Webb, MB ;
Yardley, J ;
Andree, T ;
Boast, C ;
Kucharik, RJ ;
Marquis, K ;
Morris, H ;
Scerni, R ;
Moyer, JA .
JOURNAL OF MEDICINAL CHEMISTRY, 1999, 42 (25) :5077-5094
[2]   Spectroscopic investigations, NBO, HOMO-LUMO, NLO analysis and molecular docking of 5-(adamantan-1-yl)-3-anilinomethyl-2,3-dihydro-1,3,4-oxadiazole-2-thione, a potential bioactive agent [J].
Al-Omary, Fatmah A. M. ;
Mary, Y. Sheena ;
Panicker, C. Yohannan ;
El-Emam, Ali A. ;
Al-Swaidan, Ibrahim A. ;
Al-Saadi, Abdulaziz A. ;
Van Alsenoy, C. .
JOURNAL OF MOLECULAR STRUCTURE, 2015, 1096 :1-14
[3]   FT-IR and FT-Raman spectroscopic signatures, vibrational assignments, NBO, NLO analysis and molecular docking study of 2-{[5-(adamantan-1-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-dimethylethanamine [J].
Almutairi, Maha S. ;
Alanazi, Amer M. ;
Al-Abdullah, Ebtehal S. ;
El-Emam, Ali A. ;
Pathak, Shilendra K. ;
Srivastava, Ruchi ;
Prasad, Onkar ;
Sinha, Leena .
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2015, 140 :1-14
[4]  
[Anonymous], 2009, APEX2 SAINT SADABS
[6]   Bromontan, a new doping agent [J].
Burnat, P ;
Payen, A ;
LeBrumantPayen, C ;
Hugon, M ;
Ceppa, F .
LANCET, 1997, 350 (9082) :963-964
[7]   ANTIVIRAL ACTIVITY OF 1-ADAMANTANAMINE ( AMANTADINE ) [J].
DAVIES, WL ;
HOFFMANN, CE ;
PAULSHOCK, M ;
WOOD, TR ;
HAFF, RF ;
GRUNERT, RR ;
WATTS, JC ;
HERMANN, EC ;
NEUMAYER, EM ;
MCGAHEN, JW .
SCIENCE, 1964, 144 (362) :862-&
[8]   Synthesis, antimicrobial, and anti-HIV-1 activity of certain 5-(I-adamantyl)-2-substituted thio-1,3,4-oxadiazoles and 5-(1-adamantyl)-3-substituted aminomethyl-1,3,4-oxadiazoline-2-thiones [J].
El-Emam, AA ;
Al-Deeb, OA ;
Al-Omar, M ;
Lehmann, J .
BIOORGANIC & MEDICINAL CHEMISTRY, 2004, 12 (19) :5107-5113
[9]   Synthesis and antimicrobial activity of novel 5-(1-adamantyl)-2-aminomethyl-4-substituted-1,2,4-triazoline-3-thiones [J].
El-Emam, Ali A. ;
Al-Tamimi, Abdul-Malek S. ;
Al-Omar, Mohamed A. ;
Alrashood, Khalid A. ;
Habib, Elsayed E. .
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2013, 68 :96-102
[10]   Spectroscopic investigation (FT-IR and FT-Raman), vibrational assignments, HOMO-LUMO analysis and molecular docking study of 2-(Adamantan-1-yl)-5-(4-nitrophenyl)-1,3,4-oxadiazole [J].
Haress, Nadia G. ;
Al-Omary, Fatmah ;
El-Emam, Ali A. ;
Mary, Y. Sheena ;
Panicker, C. Yohannan ;
Al-Saadi, Abdulaziz A. ;
War, Javeed Ahmad ;
Van Alsenoy, Christian .
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2015, 135 :973-983